Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | INMT | O95050 | 2/20 | 0.35 |
| ▸ | USP19 | O94966 | 1/20 | 0.34 |
| ▸ | GPR4 | P46093 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL92375 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL854039 | 0.89 | GPR4 (0.34) | USP19GPR4KCNH2GNAI3GNAO1 | |
| Trifluoroacetic Acid SCHEMBL71716 | 0.87 | HRH4 (0.37) | INMTUSP19GPR4KCNH2P2RX7 | |
| Trifluoroacetic Acid SCHEMBL1206539 | 0.87 | HRH4 (0.37) | INMTUSP19GPR4KCNH2P2RX7 | |
| SCHEMBL3833137 | 0.81 | TSHR (0.44) | KMT2AUSP19TSHRF10LMNA | |
| Hydrochloric Acid SCHEMBL2976440 | 0.80 | TSHR (0.43) | KMT2AUSP19TSHRF10LMNA | |
| SCHEMBL30616319 | 0.79 | SLC6A2 (0.38) | INMTALDH1A1 | |
| SCHEMBL17120446 | 0.77 | GPR4 (0.36) | USP19GPR4KCNH2 | |
| SCHEMBL29036902 | 0.76 | TSHR (0.34) | KMT2AUSP19TSHRF10LMNA | |
| SCHEMBL1583740 | 0.76 | MEN1 (0.35) | KMT2AUSP19GPR4KCNH2GNAI3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120071469-A1 | NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 2012-03-22 | — | — | US | disclosed |
| US-20110118268-A1 | NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 2011-05-19 | — | — | US | disclosed |
| EP-2262810-A2 | NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NeuroSearch A/S (DK) | 2010-12-22 | — | — | EP | disclosed |
| WO-2010130768-A1 | NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 2010-11-18 | — | — | WO | disclosed |
| WO-2009112462-A2 | NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 2009-09-17 | — | — | WO | disclosed |
| US-7442694-B2 | Diazabicyclic compounds useful in the treatment of CNS and other disorders | PFIZER INC (US) | 2008-10-28 | — | — | US | disclosed |
| EP-1551843-A1 | DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS | Pfizer Products Inc. (US) | 2005-07-13 | — | — | EP | disclosed |
| US-20040106603-A1 | Diazabicyclic compounds useful in the treatment of CNS and other disorders | PFIZER INC | 2004-06-03 | — | — | US | disclosed |
| WO-2004024729-A1 | DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS | PFIZER PRODUCTS INC. (US) | 2004-03-25 | — | — | WO | disclosed |
| US-6114328-A | ANTICOAGULANTS; BLOOD DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0970950-A2 | Novel isoxazoline and isoxazole fibrinogen receptor antagonists | DuPont Pharmaceuticals Company (US) | 2000-01-12 | — | — | EP | disclosed |
| US-5849736-A | Isoxazoline and isoxazole fibrinogen receptor antagonists | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-15 | — | — | US | disclosed |
| US-5559232-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0730590-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995014683-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-06-01 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120071469-A1 | NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | CHRNA10, CHRNA3, CHRNA6 | KMT2A 2410/4885INMT 524/4885USP19 4023/4885 |
| US-20110118268-A1 | NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | CHRNA6, CHRNA2, CHRNA10 | KMT2A 2680/4885INMT 666/4885USP19 3958/4885 |
| US-20040106603-A1 | Diazabicyclic compounds useful in the treatment of CNS and other disorders | DBH, CHRNA6, DDT | KMT2A 2103/4885INMT 483/4885USP19 4415/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.